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Open Materials Database in Duaer

In Duaer: Crystal structures in the Open Materials Database by formula or elements, with cell formula, sites, and periodicity. One successful search uses 1 credit.

What you get

Duaer Open Materials Database searches the openmaterialsdb.se structure collection over OPTIMADE. It returns standard structure fields only.

Pick Duaer Data → Open Materials Database in the node creator, or open the data market. Related: Materials Cloud MC3D, Crystal structures (COD).

When to use it

  • Cross-check a structure against another open database.
  • List structures that contain a set of elements.

When not to use it

Search on the canvas

  1. Open the node creator and pick Duaer Data → Open Materials Database.
  2. Fill Formula (such as CaMgO6Si2) or Elements (such as Ca,Mg).
  3. Limit defaults to 10, max 20. Execute.

A search uses 1 credit only when it returns rows. No rows, wrong input, or an upstream failure uses 0.

Call the API

  • GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2
  • Authorization: Bearer <Duaer key>

The call skill below matches Copy skill in the Duaer data market, with parameters, examples, and result fields.

Call skill

Same text as Copy skill.

---
name: duaer-omdb
description: >-
  Duaer Open Materials Database. Crystal structures in the Open Materials Database by formula or elements, with cell formula, sites, and periodicity.
  One successful search uses 1 Duaer credit.
---

# Duaer Open Materials Database

Duaer Open Materials Database searches the openmaterialsdb.se structure collection over OPTIMADE. It returns standard structure fields only.

## When to use

- Cross-check a structure against another open database.
- List structures that contain a set of elements.

## When not to use

- Band gaps or energies. Use https://skills.duaer.com/materials-project.md.
- 2D layers. Use https://skills.duaer.com/matpedia-2d.md.

## Call

`GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

Get a Duaer key: https://skills.duaer.com/keys.md

## Parameters

Provide `formula` or `elements`.

- `formula` — Formula such as CaMgO6Si2. Matches the reduced formula.
- `elements` — Optional. Materials that contain all of these, such as Ca,Mg.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.

## Examples

- `GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2` — diopside structures.
- `GET https://api.duaer.com/v1/data/omdb?elements=Ca,Mg&limit=5` — structures with calcium and magnesium.

## Result

The response is `{ "items": [...] }`. Each item has `source`, `title`, `url`, and `summary`, plus:

- `structureId` — provider id.
- `formula`, `formulaCell`, `elements`, `sites` — reduced formula, cell formula, elements, and atoms in the cell.
- `periodicDimensions` — 3 for bulk crystals.

Fields without a value are left out.

## Credits

A search that returns at least one row uses 1 credit.
An empty search, a search that finds nothing, or a failed search uses 0.
Wrong input returns 400 with a message and uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

## Related

- https://skills.duaer.com/materials-cloud.md — Duaer Materials Cloud MC3D
- https://skills.duaer.com/cod.md — Duaer Crystal structures (COD)

Questions

How many credits does a Open Materials Database search use in Duaer?

One credit when Duaer returns rows. A search with no rows or an error uses 0.

Which fields does Duaer Open Materials Database return?

Duaer Open Materials Database returns standard OPTIMADE structure fields such as formula, elements, and lattice, with no energies.

In this section

Get started

Materials Cloud MC3D in Duaer

In Duaer: Relaxed 3D crystal structures computed with PBE in Materials Cloud MC3D, by formula or elements, with cell volume, energy, and source database. One successful search uses 1 credit.

Get started

Crystal structures (COD) in Duaer

In Duaer: Experimental crystal structures from the Crystallography Open Database by formula, mineral, or words: space group, cell lengths, year, paper, and CIF download. One successful search uses 1 credit.